3-(1-tert-butyl-5-(4-chlorophenyl)-1H-pyrazol-3-yl)propanal

HCID 86639921
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Basic information

Standard SMILES
CC(C)(C)n1nc(CCC=O)cc1-c1ccc(Cl)cc1
InChIKey
SXCSNOGJPYGSLI-UHFFFAOYSA-N
Molecular formula
C16H19ClN2O
Average molar mass
290.79 g/mol

Names & identifiers

Preferred name
3-(1-tert-butyl-5-(4-chlorophenyl)-1H-pyrazol-3-yl)propanal
IUPAC
3-[1-tert-butyl-5-(4-chlorophenyl)pyrazol-3-yl]propanal

Names & synonyms

SCHEMBL3222430SXCSNOGJPYGSLI-UHFFFAOYSA-N3-(1-tert-butyl-5-(4-chlorophenyl)-1H-pyrazol-3-yl)propanal

Database identifiers

PubChem CID
86639921

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
20

Related reactions

29 records
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Linked notes

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